Chem
J-GLOBAL ID：200907067900674659   Nikkaji number：J1.934.032E

(7R,7α)-31-Oxo-7-hydro-81-dehydro-132α-(methoxycarbonyl)phytochlorin phytyl ester

(7R,7α)-31-オキソ-7-ヒドロ-81-デヒドロ-132α-(メトキシカルボニル)フィトクロリンフィチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C55H74N4O6
Molecular formula furigana： C55-H74-N4-O6
Molecular weight： 887.219
InChI： InChI=1S/C55H74N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h13,25,27-32,34-35,40,51,57,59H,14-24,26H2,1-12H3/b33-25+,39-13?,41-29+,42-27-,43-27-,44-28-,45-28+,46-29-,52-50-/t31-,32-,34-,35+,40+,51-/m1/s1
InChI key： SFKCKJXMIAKQMY-LFDLKDHHSA-N
SMILES： COC(=O)[C@H]1C(=O)c2c(C)c3/C=C\4/N=C(/C=c/5\[nH]/c(=C\C6=N/C(=C/1\c2[nH]3)/[C@@H](CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]6C)/c(C)c5C(=O)C)[C@H](C)C4=CC
Systematic name  (3)：
  • (7R,7α)-31-オキソ-7-ヒドロ-81-デヒドロ-132α-(メトキシカルボニル)フィトクロリンフィチル
  • メチル (3R,12R,21S,22S)-16-アセチル-11-エチリデン-12,17,21,26-テトラメチル-4-オキソ-22-(3-オキソ-3-{[(2E,7R,11R)-3,7,11,15-テトラメチルヘキサデカ-2-エン-1-イル]オキシ}プロピル)-7,23,24,25-テトラアザヘキサシクロ[18.2.1.15,8.110,13.115,18.02,6]ヘキサコサ-1,5,8(26),9,13(25),14,16,18,20(23)-ノナエン-3-カルボキシラート
  • methyl (3R,12R,21S,22S)-16-acetyl-11-ethylidene-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13(25),14,16,18,20(23)-nonaene-3-carboxylate
Other name (1)：
  • (7R,7α)-31-Oxo-7-hydro-81-dehydro-132α-(methoxycarbonyl)phytochlorin phytyl ester
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